CAS RN: 869304-55-2
Trans-24
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7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 100mg | In stock | Inquiry | |
| Batchno.20251222 | 10mg | In stock | Inquiry | |
| Batchno.20250503 | 1mg | In stock | Inquiry | |
| Batchno.20250322 | 1mg / 2.5mg | Out of stock | 15 business days | Inquiry |
| Batchno.20251216 | 25mg | In stock | Inquiry | |
| Batchno.20251129 | 50mg | In stock | Inquiry | |
| Batchno.20250213 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS869304-55-2
- Purity/Analytical Methods: >99.0%
869304-55-2 / (10R,15S)-13-benzyl-10-(3-hydroxyphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Basic Information
CAS
869304-55-2
Multi CAS
Yes
Molecular Formula
C26H21N3O3
Molecular Weight
423.500000
Exact Mass
423.158292
InChI
InChI=1S/C26H21N3O3/c30-18-10-6-9-17(13-18)24-23-20(19-11-4-5-12-21(19)27-23)14-22-25(31)28(26(32)29(22)24)15-16-7-2-1-3-8-16/h1-13,22,24,27,30H,14-15H2/t22-,24+/m0/s1
InChIKey
UOKINRKWPYVMSZ-LADGPHEKSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.97
TPSA
76.64
LogP / Solubility
WLOGP
4.35
MLOGP
3.86
XLogP3
3.9
Consensus LogP
4.04
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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